%chk=000111310.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111310

0 1
 O    2.511700      -1.507200       1.090600    
 N  -0.6781000      3.9000001E-02  8.5100003E-02
 C   0.5881000     -5.6699999E-02  0.8112000    
 C    1.478700      -1.137900      0.1745000    
 C    1.295100       1.308600      0.8560000    
 C    2.103600     -0.7062000      -1.156600    
 C    1.879400       1.727300     -0.4927000    
 C   -1.348200      -1.268400      4.5899998E-02
 C   -1.542600       1.061000      0.6916000    
 C    2.797000      0.6533000      -1.068600    
 C   -2.650900      -1.197000     -0.7522000    
 C   -2.851600       1.208700     -8.5600004E-02
 C   -3.582200     -0.1244000     -0.1991000    
 H   0.3926000     -0.3473000       1.854000    
 H   0.9769000      -2.091100      2.3300000E-02
 H    2.141500       1.206300       1.551800    
 H   0.7094000       2.118300       1.296300    
 H    1.322900     -0.6577000      -1.925400    
 H    2.838100      -1.449900      -1.487800    
 H    2.443900       2.659200     -0.3725000    
 H    1.068000       1.937600      -1.199600    
 H   -1.549900      -1.643700       1.057500    
 H  -0.7807000      -2.028500     -0.4917000    
 H   -1.100200       2.058500      0.6529000    
 H   -1.758200      0.8266000       1.742100    
 H    3.139300      0.9564000      -2.064500    
 H    3.691500      0.5652000     -0.4397000    
 H   -3.155500      -2.169800     -0.7285000    
 H   -2.427700     -0.9780000      -1.804500    
 H   -2.641800       1.596100      -1.091000    
 H   -3.497800       1.941700      0.4109000    
 H   -4.460600     -1.8600000E-02 -0.8453000    
 H   -3.944100     -0.4289000      0.7906000    
 H    3.062400      -2.184700      0.6622000    


%chk=000111310-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111310

0 1
O 2.685432 -1.505048 0.906543
N -0.689318 -0.116689 0.134263
C 0.638449 -0.230688 0.829589
C 1.561971 -1.168128 -0.001183
C 1.372810 1.114358 1.059286
C 2.052773 -0.506874 -1.306224
C 1.852098 1.791173 -0.247736
C -1.525193 -1.329049 0.366228
C -1.483530 1.098795 0.453165
C 2.769040 0.837536 -1.048411
C -2.775479 -1.338959 -0.534580
C -2.737860 1.185609 -0.444209
C -3.624634 -0.070573 -0.296124
H 0.505531 -0.711297 1.830867
H 1.018495 -2.101484 -0.256074
H 2.259618 0.875618 1.676513
H 0.748397 1.801763 1.658968
H 1.161798 -0.338531 -1.942258
H 2.718394 -1.208069 -1.851862
H 2.392660 2.726744 -0.004650
H 0.983750 2.072141 -0.876774
H -1.847877 -1.380719 1.440892
H -0.920879 -2.232072 0.170923
H -0.865056 1.995499 0.287831
H -1.803845 1.107757 1.529660
H 3.065758 1.298545 -2.010158
H 3.696648 0.655443 -0.470250
H -3.368406 -2.251668 -0.329860
H -2.452448 -1.377671 -1.593065
H -2.409279 1.283556 -1.497458
H -3.308029 2.098893 -0.184178
H -4.478376 -0.031195 -0.999122
H -4.049728 -0.101788 0.728799
H 3.326317 -2.075129 0.411846


